4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C19H32N3O2S2+ MolecularWeight: 398.60628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCCSC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCCSC)OC)OC

InChI

InChI=1S/C19H31N3O2S2/c1-15-12-17(23-2)18(24-3)13-16(15)14-21-7-9-22(10-8-21)19(25)20-6-5-11-26-4/h12-13H,5-11,14H2,1-4H3,(H,20,25)/p+1